[3-naphthalen-1-yl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-ethylbutanoate

Systemtic Name: [3-naphthalen-1-yl-4-oxidanylidene-2-(trifluoromethyl)chromen-7-yl] 2-ethylbutanoate Openeye Name: [3-(1-naphthyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-ethylbutanoate CAS Name: 2-ethylbutanoic acid [3-(1-naphthalenyl)-4-oxo-2-(trifluoromethyl)-1-benzopyran-7-yl] ester IUPAC Name: [3-naphthalen-1-yl-4-oxo-2-(trifluoromethyl)chromen-7-yl] 2-ethylbutanoate Traditional Name: 2-ethylbutyric acid [4-keto-3-(1-naphthyl)-2-(trifluoromethyl)chromen-7-yl] ester Formula: C26H21F3O4 MolecularWeight: 454.43775

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCC(CC)C(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H21F3O4/c1-3-15(4-2)25(31)32-17-12-13-20-21(14-17)33-24(26(27,28)29)22(23(20)30)19-11-7-9-16-8-5-6-10-18(16)19/h5-15H,3-4H2,1-2H3